Compound Detail
CHEMBL409103
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Basic Information
| ChEMBL ID | CHEMBL409103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHYJQEMFCWJMSJ-UHFFFAOYSA-N |
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
5.34
ALogP
5
HBA
1
HBD
69.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.89 | 8.89 | 1.3 | 3 |
| HUVEC CHEMBL613979 | IC50 | 8.15 | 7.5 | 7.0 | 3 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1.3 | nM | 8.89 | Inhibition of KDR | 18324759 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1.3 | nM | 8.89 | Inhibition of KDR by HTRF assay | 18324761 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1.288 | nM | 8.89 | Inhibition of human VEGFR2 after 60 mins | 19081278 |
| HUVEC | IC50 | = | 7.0 | nM | 8.15 | Inhibition of VEGF-induced proliferation of HUVEC cells | 18324761 |
| HUVEC | IC50 | = | 7.4 | nM | 8.13 | Inhibition of VEGF-induced proliferation of HUVEC | 18324759 |
| HUVEC | IC50 | = | 600.0 | nM | 6.22 | Inhibition of bFGF-induced proliferation of HUVEC | 18324759 |
| Tyrosine-protein kinase Lck | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of Lck | 18324759 |
| Aurora kinase A | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of Aurora A | 18324759 |
| Angiopoietin-1 receptor | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of Tie2 | 18324759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18324759 | 10.1021/jm701098w | HUVEC | 2 |
| 18324761 | 10.1021/jm701097z | HUVEC | 2 |
| 18324759 | 10.1021/jm701098w | Vascular endothelial growth factor receptor 2 | 1 |
| 18324759 | 10.1021/jm701098w | Angiopoietin-1 receptor | 1 |
| 18324759 | 10.1021/jm701098w | Hepatocyte growth factor receptor | 1 |
| 18324759 | 10.1021/jm701098w | Tyrosine-protein kinase Lck | 1 |
| 18324759 | 10.1021/jm701098w | Aurora kinase A | 1 |
| 18324759 | 10.1021/jm701098w | Aurora kinase B | 1 |
| 18324761 | 10.1021/jm701097z | Vascular endothelial growth factor receptor 2 | 1 |
| 19081278 | 10.1016/j.jmgm.2008.10.006 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine